3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine

C16H12FN7 — CID 135974490

IUPAC3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine
SMILESCc1ccncc1-c1cc(F)cc(-n2nnc(-c3ncc[nH]3)n2)c1
InChIInChI=1S/C16H12FN7/c1-10-2-3-18-9-14(10)11-6-12(17)8-13(7-11)24-22-16(21-23-24)15-19-4-5-20-15/h2-9H,1H3,(H,19,20)
InChIKeyCZOBXSJMLFQPBT-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.56
Rot. Bonds3

About 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine

3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine (PubChem CID 135974490) has the molecular formula C16H12FN7 and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine.

Molecular Properties

Compound Name3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine
PubChem CID135974490
Molecular FormulaC16H12FN7
Molecular Weight321.32 g/mol
Exact Mass321.11
IUPAC Name3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine
SMILESCc1ccncc1-c1cc(F)cc(-n2nnc(-c3ncc[nH]3)n2)c1
InChIInChI=1S/C16H12FN7/c1-10-2-3-18-9-14(10)11-6-12(17)8-13(7-11)24-22-16(21-23-24)15-19-4-5-20-15/h2-9H,1H3,(H,19,20)
InChIKeyCZOBXSJMLFQPBT-UHFFFAOYSA-N
XLogP2.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine?
The IUPAC name of 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine (CID 135974490) is 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine.
What is the SMILES notation for 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine?
The canonical SMILES for 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine is Cc1ccncc1-c1cc(F)cc(-n2nnc(-c3ncc[nH]3)n2)c1.
What is the InChIKey of 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine?
The InChIKey is CZOBXSJMLFQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN7/c1-10-2-3-18-9-14(10)11-6-12(17)8-13(7-11)24-22-16(21-23-24)15-19-4-5-20-15/h2-9H,1H3,(H,19,20).
What are the key properties of 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine?
3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine has a molecular weight of 321.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[5-(1H-imidazol-2-yl)tetrazol-2-yl]phenyl]-4-methylpyridine is sourced from PubChem (CID 135974490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).